ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine

C14H27N — CID 178019036

IUPACethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(CC)CCC.CC
InChIInChI=1S/C12H21N.C2H6/c1-5-9-12(10-6-2)13(8-4)11-7-3;1-2/h5-6,9-10H,1,7-8,11H2,2-4H3;1-2H3/b10-6-,12-9+;
InChIKeyYSMJHBKTYAMEGD-UZHTWQFDSA-N
MW209.38 g/mol
LogP4.39
Rot. Bonds6

About ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine

ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine (PubChem CID 178019036) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Nameethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine
PubChem CID178019036
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(CC)CCC.CC
InChIInChI=1S/C12H21N.C2H6/c1-5-9-12(10-6-2)13(8-4)11-7-3;1-2/h5-6,9-10H,1,7-8,11H2,2-4H3;1-2H3/b10-6-,12-9+;
InChIKeyYSMJHBKTYAMEGD-UZHTWQFDSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-N-butyl-N-methylhepta-1,3,5-trien-4-amine
CID 143005008
ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 143203776
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 139420267
(E)-N,N-dipropylbut-2-enamide
CID 21329403
(Z)-N-ethyl-1-(prop-2-enylideneamino)-N-propylprop-1-en-1-amine
CID 174008881
N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
CID 144531341
(2Z)-1-(2-ethenylhydrazinyl)-N-ethyl-N-propylpenta-2,4-dien-2-amine
CID 165035925
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 129043675
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine?
The IUPAC name of ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine (CID 178019036) is ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine?
The canonical SMILES for ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine is C=C/C=C(\C=C/C)N(CC)CCC.CC.
What is the InChIKey of ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine?
The InChIKey is YSMJHBKTYAMEGD-UZHTWQFDSA-N. The full InChI is InChI=1S/C12H21N.C2H6/c1-5-9-12(10-6-2)13(8-4)11-7-3;1-2/h5-6,9-10H,1,7-8,11H2,2-4H3;1-2H3/b10-6-,12-9+;.
What are the key properties of ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine?
ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine has a molecular weight of 209.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 178019036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).